Dirac Penning
Dirac Penning
One can clearly see, that and every integer multiple of 𝑎 potential function will
have value 𝑈(𝑛𝑎) = 𝑈0 , and 0 otherwise.
√2𝑚𝐸
𝜓(𝑥) = 𝐴𝑒 𝑖𝑞𝑥 + 𝐵𝑒 −𝑖𝑞𝑥 , 𝑞=
ℏ
Now, if we look at two neighboring wells with Bloch theorem in mind one, we
can relate those two in a following manner:
𝜓2 (𝑥) = 𝜓1 (𝑥 − 𝑎) ⋅ 𝑒 𝑖𝑘𝑎
substituting functions:
𝐴1 𝑒 𝑖𝑞𝑥 + 𝐵1 𝑒 −𝑖𝑞𝑥 = (𝐴𝑒 𝑖𝑞(𝑥−𝑎) + 𝐵𝑒 −𝑖𝑞(𝑥−𝑎) ) ⋅ 𝑒 𝑖𝑘𝑎
Since, 𝑒 𝑖𝑞𝑥 and 𝑒 −𝑖𝑞𝑥 are linearly independent:
𝐴1 = 𝐴𝑒 𝑖(𝑘−𝑞)𝑎 and 𝐵1 = 𝐵𝑒 𝑖(𝑘+𝑞)𝑎
So, wavefunction 𝜓2 becomes:
𝜓2 (𝑥) = 𝑒 𝑖𝑘𝑎 (𝐴𝑒 𝑖𝑞(𝑥−𝑎) + 𝐵𝑒 −𝑖𝑞(𝑥−𝑎) )
We can apply the boundary conditions, namely, wavefunction should be
continuous at 𝑥 = 0
𝐴 + 𝐵 = 𝐴𝑒 𝑖(𝑘+𝑞)𝑎 + 𝐵𝑒 𝑖(𝑘−𝑞)𝑎
Second constriction is provided by integrating the Schrödinger equation on
really small gap around 𝑥 = 0:
ℏ2 ∆ 2 ∆ ∆
− ∫ 𝜕 𝜓𝑑𝑥 + 𝑈0 ∫ 𝛿(𝑥)𝜓(𝑥)𝑑𝑥 = 𝐸 ∫ 𝜓(𝑥)𝑑𝑥
2𝑚 −∆ 𝑥 −∆ −∆
Notice that, right hand side of the equation would vanish during the
evaluation:
ℏ2
− [𝜓′2 (0) − 𝜓′1 (0)] + 𝑈0 𝜓(0) = 0
2𝑚
Let’s Calculate the derivatives for each site of the well:
𝜓′1 (0) = (𝑖𝑞𝐴𝑒 𝑖𝑞𝑥 − 𝑖𝑞𝐵𝑒 −𝑖𝑞𝑥 )|𝑥=0 = 𝑖𝑞(𝐴 − 𝐵)
𝜓′2 (0) = 𝑒 𝑖𝑘𝑎 (𝑖𝑞𝐴𝑒 𝑖𝑞(𝑥−𝑎) − 𝑖𝑞𝐵𝑒 −𝑖𝑞(𝑥−𝑎) )|𝑥=0 = 𝑖𝑞𝑒 𝑖𝑘𝑎 (𝐴𝑒 −𝑖𝑞𝑎 − 𝐵𝑒 𝑖𝑞𝑎 )
We can get back to the integrand equation:
ℏ2
− 𝑖𝑞[𝑒 𝑖𝑘𝑎 (𝐴𝑒 −𝑖𝑞𝑎 − 𝐵𝑒 𝑖𝑞𝑎 ) − (𝐴 − 𝐵)] + 𝑈0 (𝐴 + 𝐵) = 0
2𝑚
Solving both of those equations give us a non-trivial solution:
𝑚𝑈0 𝑎 sin(𝑞𝑎)
cos(𝑘𝑎) = cos(𝑞𝑎) +
ℏ2 𝑞𝑎
If the potential power is really low 𝑈0 ≪ 1, then we can completely ignore the
second term on the right hand side:
cos(𝑘𝑎) = cos(𝑞𝑎)
Alternatively:
𝑞𝑎 = arccos(cos(𝑘𝑎))
And Energy would be :
ℏ2
𝐸= 2
arccos 2 (cos(𝑘𝑎))
2𝑚𝑎